UCSF

ZINC34603337

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 31 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.97 10.29 -113.93 3 7 0 102 435.471 5
Mid Mid (pH 6-8) 1.97 8.28 -66.16 4 7 1 99 436.479 5
Lo Low (pH 4.5-6) -0.78 8.24 -91.97 4 7 1 105 436.479 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )